N-[4-[6-[3-(1,3-oxazol-5-yl)anilino]pyrazin-2-yl]oxynaphthalen-1-yl]acetamide

C25H19N5O3 — CID 24863189

IUPACN-[4-[6-[3-(1,3-oxazol-5-yl)anilino]pyrazin-2-yl]oxynaphthalen-1-yl]acetamide
SMILESCC(=O)Nc1ccc(Oc2cncc(Nc3cccc(-c4cnco4)c3)n2)c2ccccc12
InChIInChI=1S/C25H19N5O3/c1-16(31)28-21-9-10-22(20-8-3-2-7-19(20)21)33-25-14-26-13-24(30-25)29-18-6-4-5-17(11-18)23-12-27-15-32-23/h2-15H,1H3,(H,28,31)(H,29,30)
InChIKeyUDBXWYLHHPCQFJ-UHFFFAOYSA-N
MW437.46 g/mol
LogP5.78
Rot. Bonds6

About N-[4-[6-[3-(1,3-oxazol-5-yl)anilino]pyrazin-2-yl]oxynaphthalen-1-yl]acetamide

N-[4-[6-[3-(1,3-oxazol-5-yl)anilino]pyrazin-2-yl]oxynaphthalen-1-yl]acetamide (PubChem CID 24863189) has the molecular formula C25H19N5O3 and a molecular weight of 437.46 g/mol. Its IUPAC name is N-[4-[6-[3-(1,3-oxazol-5-yl)anilino]pyrazin-2-yl]oxynaphthalen-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-[6-[3-(1,3-oxazol-5-yl)anilino]pyrazin-2-yl]oxynaphthalen-1-yl]acetamide
PubChem CID24863189
Molecular FormulaC25H19N5O3
Molecular Weight437.46 g/mol
Exact Mass437.15
IUPAC NameN-[4-[6-[3-(1,3-oxazol-5-yl)anilino]pyrazin-2-yl]oxynaphthalen-1-yl]acetamide
SMILESCC(=O)Nc1ccc(Oc2cncc(Nc3cccc(-c4cnco4)c3)n2)c2ccccc12
InChIInChI=1S/C25H19N5O3/c1-16(31)28-21-9-10-22(20-8-3-2-7-19(20)21)33-25-14-26-13-24(30-25)29-18-6-4-5-17(11-18)23-12-27-15-32-23/h2-15H,1H3,(H,28,31)(H,29,30)
InChIKeyUDBXWYLHHPCQFJ-UHFFFAOYSA-N
XLogP5.78
TPSA102.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.46
LogP ≤ 55.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-{5-[(6-{[3-(1,3-oxazol-5-yl)phenyl]amino}pyrazin-2-yl)oxy]naphthalen-1-yl}acetamide
CID 24878671
N-(5-(6-(3-Oxo-1,3-dihydroisobenzofuran-5-ylamino)pyrazin-2-yloxy)naphthalen-1-yl)acetamide
CID 24878672
N-(2-methyl-3-[1,3]oxazolo[4,5-b]pyridin-2-ylphenyl)pentanamide
CID 15991171
3-methoxy-N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
CID 1142615
3-ethoxy-N-(2-methyl-3-[1,3]oxazolo[4,5-b]pyridin-2-ylphenyl)benzamide
CID 1216135
2-[3-(Oxazol-5-yl)phenylamino]-6-(3-acetamidophenyl)pyrazine
CID 11574273
N-(2-(2-(tert-butyl)phenoxy)pyridin-3-yl)-5-phenyloxazol-2-amine
CID 59129092
3-butoxy-N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
CID 1559137
N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3-propoxybenzamide
CID 2275973
N-(2-methyl-3-[1,3]oxazolo[4,5-b]pyridin-2-ylphenyl)-3-(2-oxo-2H-chromen-3-yl)benzamide
CID 2213709
N-[4-[(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-7-yl)oxy]naphthalen-1-yl]-3-(trifluoromethoxy)benzamide
CID 44185901
2-(1-naphthyloxy)-N-(2-pyrimidin-2-yl-1,3-benzoxazol-5-yl)propanamide
CID 67473106

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-[3-(1,3-oxazol-5-yl)anilino]pyrazin-2-yl]oxynaphthalen-1-yl]acetamide?
The IUPAC name of N-[4-[6-[3-(1,3-oxazol-5-yl)anilino]pyrazin-2-yl]oxynaphthalen-1-yl]acetamide (CID 24863189) is N-[4-[6-[3-(1,3-oxazol-5-yl)anilino]pyrazin-2-yl]oxynaphthalen-1-yl]acetamide.
What is the SMILES notation for N-[4-[6-[3-(1,3-oxazol-5-yl)anilino]pyrazin-2-yl]oxynaphthalen-1-yl]acetamide?
The canonical SMILES for N-[4-[6-[3-(1,3-oxazol-5-yl)anilino]pyrazin-2-yl]oxynaphthalen-1-yl]acetamide is CC(=O)Nc1ccc(Oc2cncc(Nc3cccc(-c4cnco4)c3)n2)c2ccccc12.
What is the InChIKey of N-[4-[6-[3-(1,3-oxazol-5-yl)anilino]pyrazin-2-yl]oxynaphthalen-1-yl]acetamide?
The InChIKey is UDBXWYLHHPCQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N5O3/c1-16(31)28-21-9-10-22(20-8-3-2-7-19(20)21)33-25-14-26-13-24(30-25)29-18-6-4-5-17(11-18)23-12-27-15-32-23/h2-15H,1H3,(H,28,31)(H,29,30).
What are the key properties of N-[4-[6-[3-(1,3-oxazol-5-yl)anilino]pyrazin-2-yl]oxynaphthalen-1-yl]acetamide?
N-[4-[6-[3-(1,3-oxazol-5-yl)anilino]pyrazin-2-yl]oxynaphthalen-1-yl]acetamide has a molecular weight of 437.46 g/mol, XLogP of 5.78, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-[3-(1,3-oxazol-5-yl)anilino]pyrazin-2-yl]oxynaphthalen-1-yl]acetamide is sourced from PubChem (CID 24863189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).